SCHEMBL6753986

SCHEMBL6753986

CC(=O)Nc1ccc(-c2cc3onc(C(=O)Nc4ccc(C#N)cc4-c4nnn[nH]4)c3cc2NC(C)=O)c(C(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.32
LRRK2 Q5S007 5/20 0.32
MAP2K1 Q02750 1/20 0.32
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
RAPGEF3 O95398 2/20 0.30
RAPGEF4 Q8WZA2 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
AR P10275 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6708767 0.90 HIF1A (0.35) MAP2K1TP53MAPTS1PR1S1PR3
SCHEMBL6708933 0.86 LRRK2 (0.38) LRRK2
SCHEMBL6833954 0.85 RORC (0.35) RORCMAP2K1TP53POLBMAPT
SCHEMBL6709124 0.81 LMNA (0.35) RORCTP53MAPT
SCHEMBL6818600 0.80 TP53 (0.34) RORCMAP2K1TP53POLBMAPT
SCHEMBL6710378 0.79 SMN1; SMN2 (0.35) TP53MAPTAR
SCHEMBL6710332 0.79 EPHX2 (0.39) TP53MAPTRAPGEF3RAPGEF4AR
SCHEMBL6818406 0.78 RORC (0.34) RORCMAP2K1TP53POLBMAPT
SCHEMBL6819217 0.78 PDE10A (0.37) RORCMAP2K1TP53POLBMAPT
SCHEMBL6822026 0.78 EGLN2 (0.35) RORCLRRK2MAP2K1TP53POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 RORC 1202/4885LRRK2 4612/4885MAP2K1 4678/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.